methyl 4-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]benzoate CAS Name: 4-[[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[[(4-chlorophenyl)thio]methyl]benzoyl]amino]benzoic acid methyl ester Formula: C22H18ClNO3S MolecularWeight: 411.90122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClNO3S/c1-27-22(26)17-6-10-19(11-7-17)24-21(25)16-4-2-15(3-5-16)14-28-20-12-8-18(23)9-13-20/h2-13H,14H2,1H3,(H,24,25)